N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide

C16H18N2O2 — CID 82827016

IUPACN-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-11-14(4-3-5-15(11)19)16(20)18(2)10-12-6-8-13(17)9-7-12/h3-9,19H,10,17H2,1-2H3
InChIKeyAMKAWBSDOFJWRZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide

N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 82827016) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
PubChem CID82827016
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-11-14(4-3-5-15(11)19)16(20)18(2)10-12-6-8-13(17)9-7-12/h3-9,19H,10,17H2,1-2H3
InChIKeyAMKAWBSDOFJWRZ-UHFFFAOYSA-N
XLogP2.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
CID 43401472
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide (CID 82827016) is N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is AMKAWBSDOFJWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-14(4-3-5-15(11)19)16(20)18(2)10-12-6-8-13(17)9-7-12/h3-9,19H,10,17H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide?
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 82827016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).